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1. libarvo libarvo Public

   Library to compute molecular surfaces and volumes.

   Fortran 7

2. lcmd-epfl/cell2mol lcmd-epfl/cell2mol Public

   Encoding chemistry to interpret crystallographic data

   Python 27 6

3. lcmd-epfl/Q-stack lcmd-epfl/Q-stack Public

   Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)

   Python 18 5

4. lcmd-epfl/volcanic lcmd-epfl/volcanic Public

   A program to automatically generate volcano plots for catalysis.

   Python 15 1

5. lcmd-epfl/NaviCat lcmd-epfl/NaviCat Public

   A platform for catalyst discovery

   12

6. lcmd-epfl/mikimo lcmd-epfl/mikimo Public

   A program to automatically perform microkinetic modeling and generate microkinetic volcano plots for homogeneous catalysis reactions using energy data.

   Python 13 3